6-fluoro-2-oxochromene-3-sulfonamide

C9H6FNO4S — CID 164623666

IUPAC6-fluoro-2-oxochromene-3-sulfonamide
SMILESNS(=O)(=O)c1cc2cc(F)ccc2oc1=O
InChIInChI=1S/C9H6FNO4S/c10-6-1-2-7-5(3-6)4-8(9(12)15-7)16(11,13)14/h1-4H,(H2,11,13,14)
InChIKeyLZZPJJGCMNPSHV-UHFFFAOYSA-N
MW243.21 g/mol
LogP0.58
Rot. Bonds1

About 6-fluoro-2-oxochromene-3-sulfonamide

6-fluoro-2-oxochromene-3-sulfonamide (PubChem CID 164623666) has the molecular formula C9H6FNO4S and a molecular weight of 243.21 g/mol. Its IUPAC name is 6-fluoro-2-oxochromene-3-sulfonamide.

Molecular Properties

Compound Name6-fluoro-2-oxochromene-3-sulfonamide
PubChem CID164623666
Molecular FormulaC9H6FNO4S
Molecular Weight243.21 g/mol
Exact Mass243.00
IUPAC Name6-fluoro-2-oxochromene-3-sulfonamide
SMILESNS(=O)(=O)c1cc2cc(F)ccc2oc1=O
InChIInChI=1S/C9H6FNO4S/c10-6-1-2-7-5(3-6)4-8(9(12)15-7)16(11,13)14/h1-4H,(H2,11,13,14)
InChIKeyLZZPJJGCMNPSHV-UHFFFAOYSA-N
XLogP0.58
TPSA90.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.21
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Related Compounds

Coumarin
CID 323
difluoro(4-methyl-2-oxo-2H-chromen-7-yl)methanesulfonamide
CID 44405190
(4-methyl-2-oxo-2H-chromen-7-yl)methanesulfonamide
CID 44405187
Coumarin sulfonamide
CID 87164598
6-methyl-2-oxo-2H-1-benzopyran-3-sulfonamide
CID 141216239
3-Fluoro-2H-chromen-2-one
CID 367930
2-Oxo-2H-chromen-7-yl Trifluoromethanesulfonate
CID 13704479
Coumarin-6-sulfonyl chloride
CID 2735833
(4-Methyl-2-oxochromen-6-yl) sulfamate
CID 10538931
6,8-Difluoro-3-(4-fluorophenyl)sulfonylchromen-2-one
CID 16008701
6-methoxy-2-oxo-2H-1-benzopyran-3-sulfonamide
CID 164608873
6-bromo-2-oxo-2H-1-benzopyran-3-sulfonamide
CID 164609327

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-oxochromene-3-sulfonamide?
The IUPAC name of 6-fluoro-2-oxochromene-3-sulfonamide (CID 164623666) is 6-fluoro-2-oxochromene-3-sulfonamide.
What is the SMILES notation for 6-fluoro-2-oxochromene-3-sulfonamide?
The canonical SMILES for 6-fluoro-2-oxochromene-3-sulfonamide is NS(=O)(=O)c1cc2cc(F)ccc2oc1=O.
What is the InChIKey of 6-fluoro-2-oxochromene-3-sulfonamide?
The InChIKey is LZZPJJGCMNPSHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6FNO4S/c10-6-1-2-7-5(3-6)4-8(9(12)15-7)16(11,13)14/h1-4H,(H2,11,13,14).
What are the key properties of 6-fluoro-2-oxochromene-3-sulfonamide?
6-fluoro-2-oxochromene-3-sulfonamide has a molecular weight of 243.21 g/mol, XLogP of 0.58, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-oxochromene-3-sulfonamide is sourced from PubChem (CID 164623666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).